4-acetamido-3-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-acetamido-3-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-acetamido-3-nitro-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-acetamido-3-nitro-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-acetamido-3-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-acetamido-3-nitro-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H18N4O4S3 MolecularWeight: 498.59772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S3/c1-13(27)23-17-4-2-15(10-19(17)26(29)30)21(28)24-16-3-5-18-20(11-16)33-22(25-18)32-9-7-14-6-8-31-12-14/h2-6,8,10-12H,7,9H2,1H3,(H,23,27)(H,24,28)